(4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one

C15H16F3NO3 — CID 71475969

IUPAC(4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H16F3NO3/c1-10(15(16,17)18)7-13(20)19-12(9-22-14(19)21)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyUJGOFZSSXXMXHQ-PWSUYJOCSA-N
MW315.29 g/mol
LogP3.16
Rot. Bonds4

About (4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 71475969) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID71475969
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Name(4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H16F3NO3/c1-10(15(16,17)18)7-13(20)19-12(9-22-14(19)21)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyUJGOFZSSXXMXHQ-PWSUYJOCSA-N
XLogP3.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
3-[6-[3-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145976181
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
3-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[6-(3-Fluorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141210
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
(S)-4-Benzyl-3-chloroacetyl-2-oxazolidinone
CID 10879628
Locostatin
CID 5702600
4-Benzyl-2,2-dimethyl-3-propionyl-1,3-oxazolidine
CID 11842087
3-[6-[4-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145970283
4-Benzyl-3-crotonyl-2-oxazolidinone
CID 6383358

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one (CID 71475969) is (4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one is C[C@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(F)(F)F.
What is the InChIKey of (4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is UJGOFZSSXXMXHQ-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H16F3NO3/c1-10(15(16,17)18)7-13(20)19-12(9-22-14(19)21)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+/m1/s1.
What are the key properties of (4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 315.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71475969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).